BDBM333651 1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl)- 3-(3- (2- methoxyethoxy)- 5- (trifluoromethyl) phenyl) urea::US9730937, Example 200
SMILES: COCCOc1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)cc(c1)C(F)(F)F
InChI Key: InChIKey=DSMYSMGMTQKHFZ-UHFFFAOYSA-N
Data: 3 Kd
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
B-RAF V600E (Homo sapiens (Human)) | BDBM333651![]() (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) | PDB GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a |
AMBIT BIOSCIENCES CORPORATION US Patent | Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336.... | US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human)) | BDBM333651![]() (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
AMBIT BIOSCIENCES CORPORATION US Patent | Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336.... | US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase B-raf (Homo sapiens (Human)) | BDBM333651![]() (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a |
AMBIT BIOSCIENCES CORPORATION US Patent | Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336.... | US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC | |||||||||||
More data for this Ligand-Target Pair |